2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride

C13H17ClFNO2 — CID 138520480

IUPAC2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride
SMILESCc1ccc(F)c(C2(C(N)C(=O)O)CC2)c1C.Cl
InChIInChI=1S/C13H16FNO2.ClH/c1-7-3-4-9(14)10(8(7)2)13(5-6-13)11(15)12(16)17;/h3-4,11H,5-6,15H2,1-2H3,(H,16,17);1H
InChIKeyOKGYRUXPMZWDFK-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.31
Rot. Bonds3

About 2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride

2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride (PubChem CID 138520480) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride
PubChem CID138520480
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride
SMILESCc1ccc(F)c(C2(C(N)C(=O)O)CC2)c1C.Cl
InChIInChI=1S/C13H16FNO2.ClH/c1-7-3-4-9(14)10(8(7)2)13(5-6-13)11(15)12(16)17;/h3-4,11H,5-6,15H2,1-2H3,(H,16,17);1H
InChIKeyOKGYRUXPMZWDFK-UHFFFAOYSA-N
XLogP2.31
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(6-fluoro-2,3-dimethylphenyl)-3-hydroxypropanoic acid
CID 138520335
1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117327906
1-[1-(2-bromo-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432880
2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol
CID 117293806
(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid
CID 66510686
5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-4-methylbenzoic acid
CID 117346746
(2S)-2-amino-3-(2,6-difluoro-3-methylphenyl)propanoic acid
CID 68718009
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid
CID 66512428
1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine
CID 117440298
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol
CID 117331543
(2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid
CID 130997783
1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol
CID 84768153

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride?
The IUPAC name of 2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride (CID 138520480) is 2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride is Cc1ccc(F)c(C2(C(N)C(=O)O)CC2)c1C.Cl.
What is the InChIKey of 2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride?
The InChIKey is OKGYRUXPMZWDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2.ClH/c1-7-3-4-9(14)10(8(7)2)13(5-6-13)11(15)12(16)17;/h3-4,11H,5-6,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride?
2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride has a molecular weight of 273.73 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-(6-fluoro-2,3-dimethylphenyl)cyclopropyl]acetic acid;hydrochloride is sourced from PubChem (CID 138520480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).